Fumaramine
(6E)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one
Also Known As: Fumaramine|(6E)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one|8H-1,3-Dioxolo(4,5-e)isoindol-8-one, 6-((6-(2-(dimethylamino)ethyl)-1,3-benzodioxol-5-yl)methylene)-6,7-dihydro-|(6E)-6-((6-(2-(dimethylamino)ethyl)-1,3-benzodioxol-5-yl)methylidene)-(1,3)dioxolo(4,5-g)isoindol-8-one|(6E)-6-[[6-(2-dimethylaminoethyl)-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.1372 g/mol |
| LogP | 2.4896 |
| Topological Polar Surface Area | 69.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.1372 |
| Monoisotopic Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 1012.34094 |
Chemical Identifiers
| CAS Number | 30341-99-2 |
|---|---|
| SMILES | CN(C)CCC1=CC2=C(C=C1/C=C/3\C4=C(C5=C(C=C4)OCO5)C(=O)N3)OCO2 |
Product Overview
Fumaramine (CAS 30341-99-2), with molecular formula C21H20N2O5 and molecular weight 380.1372 g/mol. IUPAC: (6E)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one.